Loratadine

Category	Influenza Virus
CAS	79794-75-5
Description	Loratadine is a histamine H1 receptor antagonist, used to treat allergies. It also acts as a selective inhibitor of B(0)AT2 with IC50 of 4 μM.

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Synonyms	Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta-[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylate; Desloratadine EP Impurity C; Alavert; Anhissen; Bonalerg; Claritin; Loratidine; Clarityn; Polaratyne; Sch 29851; Sch-29851; Sch29851; Symphoral; Tadine; Velodan; Zeos; 4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylic Acid Ethyl Ester; 8-Chloro-6,11-dihydro-11-(1-ethoxycarbonylpiperidin-4-ylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
IUPAC Name	ethyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate
Molecular Weight	382.88
Molecular Formula	C22H23ClN2O2
Canonical SMILES	CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1
InChI	InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3
InChIKey	JCCNYMKQOSZNPW-UHFFFAOYSA-N
Boiling Point	531.3±50.0°C at 760 mmHg
Melting Point	134-136°C
Flash Point	275.1±30.1 °C
Purity	>98%
Density	1.261±0.06 g/cm3
Solubility	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance	White or off-white crystalline powder
Storage	Store at -20°C
Complexity	569
Exact Mass	382.1448057
Index Of Refraction	1.614
PSA	42.43000
Target	Histamine Receptor; Influenza Virus
Vapor Pressure	0.0±1.4 mmHg at 25°C
XLogP3-AA	5.2